SCHEMBL4197685

SCHEMBL4197685

C=CC(=O)Nc1ccc(OC)nc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
LMNA P02545 5/20 0.61
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
KDM4E B2RXH2 4/20 0.60
TGM2 P21980 1/20 0.59
ALDH1A1 P00352 5/20 0.58
EGFR P00533 5/20 0.58
HTT P42858 1/20 0.58
POLB P06746 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ITK Q08881 1/20 0.57
PABPC1 P11940 1/20 0.57
RECQL P46063 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28522207 0.84 EGFR (0.61) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL10404298 0.80 KMT2A (0.67) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL31129249 0.80 KMT2A (0.67) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL50309 0.80 KMT2A (0.67) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL3761569 0.80 KMT2A (0.68) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL22874394 0.80 TGM2 (0.54) RAB9ANPC1LMNAKDM4ETGM2
SCHEMBL28524018 0.79 EGFR (0.49) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL22773569 0.79 KMT2A (0.65) RAB9ANPC1LMNAMAPTSMN1; SMN2
SCHEMBL28534540 0.79 TGM2 (0.56) LMNATGM2EGFRITK
Hydrochloric Acid SCHEMBL38658753 0.79 KMT2A (0.66) RAB9ANPC1LMNAMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP claimed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP claimed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO claimed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed
CN-112409360-B Heteroaryl vinyl xanthine derivatives and uses thereof 广东东阳光药业有限公司 2022-12-23 CN disclosed
CN-112409360-A Heteroaryl vinyl xanthine derivatives and uses thereof 广东东阳光药业有限公司 2021-02-26 CN disclosed
CN-111892579-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-06 CN disclosed
CN-111875585-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-03 CN disclosed
CN-106660993-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-09-11 CN disclosed